#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun 14 de Feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/82/1008286.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1008286
loop_
_publ_author_name
'Darriet, B'
'Soubeyroux, J L'
'Pezat, M'
'Fruchart, D'
_publ_section_title
;
Structural and hydrogen diffusion study in the Mg₂ Ni H₂ system
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              153
_journal_page_last               162
_journal_paper_doi               10.1016/0022-5088(84)90374-6
_journal_volume                  103
_journal_year                    1984
_chemical_formula_structural     'Mg2 Ni D.30'
_chemical_formula_sum            'D0.3 Mg2 Ni'
_chemical_name_systematic        'Magnesium nickel deuteride (2/1/.3)'
_space_group_IT_number           180
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.256
_cell_length_b                   5.256
_cell_length_c                   13.435
_cell_volume                     321.4
_refine_ls_R_factor_all          0.05
_cod_original_formula_sum        'D.3 Mg2 Ni'
_cod_database_code               1008286
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,2/3+z
y-x,-x,1/3+z
-x,-y,z
y,y-x,2/3+z
x-y,x,1/3+z
y,x,2/3-z
x-y,-y,-z
-x,y-x,1/3-z
-y,-x,2/3-z
y-x,y,-z
x,x-y,1/3-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ni1 Ni0 3 b 0. 0. 0.5 1. 0 d
Ni2 Ni0 3 d 0.5 0. 0.5 1. 0 d
Mg1 Mg0 6 f 0.5 0. 0.122(2) 1. 0 d
Mg2 Mg0 6 i 0.156(4) 0.312(8) 0. 1. 0 d
D1 D0 12 k 0.481(18) 0.290(21) 0.509(10) 0.13(1) 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ni0 0.000
Mg0 0.000
D0 0.000
